200,000+ products from a single source!
sales@angenechem.com
127709-37-9 | 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, compd. with 3-(2-aminoethyl)-4-fluoro-1H-indole-5,6-diol, sulfate (1:1:1)
CAS No: 127709-37-9 Catalog No: AG000XBA MDL No:
Product Description
Catalog Number:
AG000XBA
Chemical Name:
4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-, compd. with 3-(2-aminoethyl)-4-fluoro-1H-indole-5,6-diol, sulfate (1:1:1)
CAS Number:
127709-37-9
Molecular Formula:
C14H20FN5O7S
Molecular Weight:
421.4013
IUPAC Name:
3-(2-aminoethyl)-4-fluoro-1H-indole-5,6-diol;2-amino-3-methyl-4H-imidazol-5-one;sulfuric acid
InChI:
InChI=1S/C10H11FN2O2.C4H7N3O.H2O4S/c11-9-8-5(1-2-12)4-13-6(8)3-7(14)10(9)15;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3-4,13-15H,1-2,12H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)
InChI Key:
MRDJRMIPHURQIJ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.O=C1N=C(N(C1)C)N.NCCc1c[nH]c2c1c(F)c(c(c2)O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.107g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
421.4g/mol
Monoisotopic Mass:
421.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.